CAS Number818-72-4
Synonyms(RS)-1-octyn-3-ol; QY6&1UU1; 3-hydroxyoct-1-yne; 1-Octyne-3-ol; (±)-oct-1-yn-3-ol; 1-OCTYNOL-3; EINECS 212-455-4; Ethynyl n-pentyl carbinol; (±)-1-octyn-3-ol; Oct-1-yne-3-ol; Oct-1-yn-3-ol; 1-pentyl-2-propyn-1-ol; n-Amyl ethynyl carbinol; 1-Octyn-3-ol; MFCD00004588
Molecular FormulaCH3(CH2)4CH(OH)C≡CH
Molecular Weight126.20
Purity96%
Density0.9±0.1 g/cm3
Boiling Point83 °C/19 mmHg (lit.)
Melting Point-60 °C
Appearanceliquid
EINECS212-455-4
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 818-72-4 |
| Catalog No. | 2A-9025302 |
| Chinese Name | 1-辛炔-3-醇 |
| Synonyms | (RS)-1-octyn-3-ol; QY6&1UU1; 3-hydroxyoct-1-yne; 1-Octyne-3-ol; (±)-oct-1-yn-3-ol; 1-OCTYNOL-3; EINECS 212-455-4; Ethynyl n-pentyl carbinol; (±)-1-octyn-3-ol; Oct-1-yne-3-ol; Oct-1-yn-3-ol; 1-pentyl-2-propyn-1-ol; n-Amyl ethynyl carbinol; 1-Octyn-3-ol; MFCD00004588 |
| Molecular Formula | CH3(CH2)4CH(OH)C≡CH |
| Molecular Weight | 126.20 |
| Purity | 96 |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 83 °C/19 mmHg (lit.) |
| Melting Point | -60 °C |
| Appearance | liquid |
| Water Solubility | 3.4 g/L (20 ºC) |
| Storage Condition | Store in cold, dry conditions, in a ventilated are |
| Packaging | III |
| EINECS | 212-455-4 |
| HTC | 29052990 |
| PubChem ID | 24847775 |
| MDL Number | MFCD00004588 |
| SMILES | CCCCCC(O)C#C |
| InChI | 1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3 |
| InChI Key | VUGRNZHKYVHZSN-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1098642 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 6.1(b) |
| MSDS | msds/25302_1_818_72_4.pdf |
| Transport Info | Product name: Purity: 97.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3082 International Maritime Danger Regulations: 3082 International Air Transport Danger Regulations: 3082 14.2 Names specified by the United Nations (UN) European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (Oct-1-yne-3-ol) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (Oct-1-yne-3-ol) International Air Transport Hazard Regulation: Environmentally hazardous substance, liquid, n.o.s. (Oct-1-yne-3-ol) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations Maritime Pollutants: Yes International Air Transport Dangerous Regulations: Yes 14.6 Special reminder to users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3), |
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